SCHEMBL368084

SCHEMBL368084

COc1ccc[c]c1OP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SRC P12931 1/20 0.42
RXRA P19793 1/20 0.42
ATM Q13315 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3767201 0.78 HTR1A (0.49) RXRAATMMAPTL3MBTL1MRGPRX4
SCHEMBL6714740 0.73 NPC1 (0.48) TSHRRXRAATMNPC1RAB9A
SCHEMBL1119402 0.72 MAPT (0.51) RXRAATMMAPTL3MBTL1MRGPRX4
SCHEMBL21122038 0.71 NPC1 (0.55) RXRAATMNPC1RAB9ACASP3
SCHEMBL6423059 0.70 TSHR (0.59) TSHRSRCNPC1RAB9AALDH1A1
SCHEMBL991032 0.70 TSHR (0.59) TSHRSRCNPC1RAB9AALDH1A1
SCHEMBL20472387 0.70 CA12 (0.58) TSHRRXRANPC1RAB9ASMPD1
SCHEMBL22905946 0.70 CA12 (0.58) TSHRRXRANPC1RAB9ASMPD1
SCHEMBL206609 0.70 TSHR (0.68) TSHRSRCNPC1RAB9AALDH1A1
SCHEMBL1635884 0.69 SMPD1 (0.47) RXRAATMNPC1RAB9ACASP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 TSHR 1422/4885SRC 1404/4885RXRA 1520/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.